3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide

C15H20Cl2N2O2 — CID 65123513

IUPAC3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1cc(C(=O)NCC2(O)CCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-11-7-10(8-12(18)13(11)17)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9,18H2,(H,19,20)
InChIKeyLNFZAISTWWEAKX-UHFFFAOYSA-N
MW331.24 g/mol
LogP3.39
Rot. Bonds3

About 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide

3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (PubChem CID 65123513) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
PubChem CID65123513
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Name3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
SMILESNc1cc(C(=O)NCC2(O)CCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C15H20Cl2N2O2/c16-11-7-10(8-12(18)13(11)17)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9,18H2,(H,19,20)
InChIKeyLNFZAISTWWEAKX-UHFFFAOYSA-N
XLogP3.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[(1-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 64866551
5-amino-2-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123464
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
3,5-dihydroxy-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 104939070
4-amino-2-chloro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 65103472
2-amino-3-chloro-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 115540784
3-amino-4,5-dichloro-N-hex-5-ynylbenzamide
CID 106208113
N-(2-acetamidoethyl)-3-amino-4,5-dichlorobenzamide
CID 61095227
4-hydroxy-N-[(1-hydroxycycloheptyl)methyl]benzamide
CID 65123054
3-amino-4,5-dichloro-N-cyclooctylbenzamide
CID 61090105
4-amino-3,5-dichloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 82832457
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide (CID 65123513) is 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is Nc1cc(C(=O)NCC2(O)CCCCCC2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
The InChIKey is LNFZAISTWWEAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c16-11-7-10(8-12(18)13(11)17)14(20)19-9-15(21)5-3-1-2-4-6-15/h7-8,21H,1-6,9,18H2,(H,19,20).
What are the key properties of 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide?
3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide has a molecular weight of 331.24 g/mol, XLogP of 3.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-[(1-hydroxycycloheptyl)methyl]benzamide is sourced from PubChem (CID 65123513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).